Geometry & MOs

Info

ID:	342386
PubChem CID:	127265209
Reduced:	N2O5C17H22 (1)
Stoich.:	A2B5C17D22 (1)
Weight, g/mol:	335.093977
ΔH_f, kcal/mol:	-171.98
Dipole, Da:	4.98
IP(EA), eV:	-9.04(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-methoxy-2-methylphenyl)sulfonyl-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

COC(=O)C=CC1=CC=C(C=C1)OCCN2CCOC(C2)C(=O)N

DOS

IR

Vibrations